[2-[(3aR,5S,7aR)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-fluoranylbenzoate

Systemtic Name: [2-[(3aR,5S,7aR)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-fluoranylbenzoate Openeye Name: [2-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ester IUPAC Name: [2-[(3aR,5S,7aR)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[(3aR,5S,7aR)-1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F

Isomeric SMILES

C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H20FNO4/c1-13-10-11-14-16(12-13)21(26)24(20(14)25)18-8-4-5-9-19(18)28-22(27)15-6-2-3-7-17(15)23/h2-9,13-14,16H,10-12H2,1H3/t13-,14+,16+/m0/s1